SCHEMBL13638713

SCHEMBL13638713

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(C)c(C)s4)cc3F)c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.53
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
CA12 O43570 6/20 0.35
CA9 Q16790 6/20 0.35
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
FBP1 P09467 1/20 0.33
CA1 P00915 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CA2 P00918 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
STING1 Q86WV6 1/20 0.30
IDH1 O75874 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9922961 0.93 P2RY12 (0.56) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL14228484 0.92 P2RY12 (0.57) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL12177432 0.90 P2RY12 (0.58) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL12161646 0.88 P2RY12 (0.58) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL9922891 0.87 P2RY12 (0.70) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL9922965 0.86 P2RY12 (0.52) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL9922982 0.86 P2RY12 (0.52) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL14228487 0.85 P2RY12 (0.54) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL9922966 0.84 P2RY12 (0.55) P2RY12KMT2AMEN1ERCC1FEN1
SCHEMBL12177347 0.83 P2RY12 (0.54) P2RY12KMT2AMEN1ERCC1FEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed